SCHEMBL88748

SCHEMBL88748

O=C1CS(=O)(=O)c2ccccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 1.00
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NOX1 Q9Y5S8 1/20 0.52
CA2 P00918 4/20 0.50
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
AHR P35869 1/20 0.44
PDK2 Q15119 1/20 0.44
NPC1 O15118 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
ESR2 Q92731 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29796329 0.81 PLCG1 (0.68) PLCG1KMT2AMEN1NOX1CA2
SCHEMBL5119459 0.81 PLCG1 (0.68) PLCG1KMT2AMEN1NOX1CA2
Hydrochloric Acid SCHEMBL26961260 0.79 PLCG1 (0.66) PLCG1KMT2AMEN1NOX1CA2
SCHEMBL18173741 0.78 PLCG1 (0.65) PLCG1KMT2AMEN1NOX1CA2
SCHEMBL88913 0.78 PLCG1 (0.65) PLCG1KMT2AMEN1NOX1CA2
SCHEMBL3598842 0.76 PLCG1 (0.61) PLCG1CA2CA12CA1CA9
SCHEMBL3600873 0.76 PLCG1 (0.61) PLCG1KMT2AMEN1CA2CA12
SCHEMBL10420771 0.76 PLCG1 (0.61) PLCG1CA2CA12CA1CA9
SCHEMBL10422383 0.74 PLCG1 (0.58) PLCG1KMT2AMEN1NOX1CA2
SCHEMBL10422382 0.74 PLCG1 (0.58) PLCG1KMT2AMEN1NOX1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
WO-2018079628-A1 PYRROLE DERIVATIVE WITH FUSED RING AND PHARMACEUTICAL USE THEREOF 大日本住友製薬株式会社 2018-05-03 WO disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 US disclosed
US-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 US disclosed
WO-2016171181-A1 2-SUBSTITUTED FUSED PYRAZOLE DERIVATIVES 大日本住友製薬株式会社 2016-10-27 WO disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 US disclosed
US-6127360-A ANTIHISTAMINES, ANTILEUKOTRIENES, ANTIINFLAMMATORY AGENTS, ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 2000-10-03 US disclosed
EP-0846112-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-10 EP disclosed
US-5202341-A HYDROXYSTYRENE COMPOUNDS HAVING TYROSINE KINASE INHIBITING ACTIVITY KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-04-13 US disclosed
EP-0304493-B1 HYDROXYSTYRENE DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-09-02 EP disclosed
US-5089516-A Antiallergens, bactericides KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-18 US disclosed
US-5057538-A Antiallergen, 5-lipoxygenase inhibitor, bactericide, ultraviolet absorber, and reverse transcriptase inhibitor KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-10-15 US disclosed
US-4971996-A Hydroxystyrene compounds which are useful as tyrosine kinase inhibitors KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-11-20 US disclosed
US-4960870-A DYEING WOOL, POLYAMIDES; FIBER REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0304493-A1 HYDROXYSTYRENE DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-03-01 EP disclosed
EP-0055917-B1 NEW BENZOTHIAZINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-11-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160318933-A1 FUSED PYRAZOLE DERIVATIVE DRD4, DRD2, DRD3 PLCG1 3025/4885KMT2A 1448/4885MEN1 4717/4885
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 PLCG1 1959/4885KMT2A 3014/4885MEN1 4819/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.